REMARK  Name = BDB014728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.591  -0.240   0.985  0.00  0.00    +0.121 C 
ATOM      2  N   LIG    1       -0.192  -1.450   1.237  0.00  0.00    -0.285 NA
ATOM      3  H   LIG    1       -0.948  -1.986   1.681  0.00  0.00    +0.188 HD
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -2.628   3.659   3.784  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -3.760   2.711   3.476  0.00  0.00    +0.213 C 
ATOM      6  N   LIG    1       -3.460   1.596   2.700  0.00  0.00    -0.297 N 
ATOM      7  C   LIG    1       -2.087   1.153   2.462  0.00  0.00    +0.147 C 
ATOM      8  C   LIG    1       -1.995   0.126   1.371  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -3.033  -0.453   0.729  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1       -4.439  -0.066   1.149  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1       -4.499   0.587   2.529  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.894   2.949   3.893  0.00  0.00    -0.276 OA
BRANCH   9  13
ATOM     13  N   LIG    1       -2.891  -1.363  -0.311  0.00  0.00    -0.346 N 
ATOM     14  H   LIG    1       -1.941  -1.720  -0.442  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.919  -2.206  -0.890  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.356  -2.877  -2.104  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -2.447  -4.073  -1.972  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -3.836  -4.244  -2.522  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  N   LIG    1        0.190   0.719   0.380  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1       -0.312   1.513   0.002  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.514   0.620  -0.081  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        2.387  -0.432   0.182  0.00  0.00    +0.134 A 
ATOM     23  N   LIG    1        3.680  -0.498  -0.239  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1        4.159   0.538  -0.962  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        3.378   1.644  -1.266  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        2.055   1.682  -0.816  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.542   0.409  -1.385  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        6.274   1.313  -2.131  0.00  0.00    +0.118 A 
ATOM     29  N   LIG    1        7.518   0.767  -2.282  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        8.638   1.339  -2.988  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.655  -0.430  -1.688  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.453  -0.646  -1.144  0.00  0.00    +0.144 A 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7